C273-0545 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyridin-3-amine

C273-0545 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyridin-3-amine
C273-0545 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C273-0545
N-(2H-1,3-benzodioxol-5-yl)-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyridin-3-amine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C273-0545

Molecular Formula

C21H17N3O2S (C21 H17 N3 O2 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyridin-3-amine

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[4-(methylsulfanyl)phenyl]imidazo[12-a]pyridin-3-amine

SMILES

CSc(cc1)ccc1-c1c(Nc(cc2)cc3c2OCO3)n(cccc2)c2n1

InChI

InChI=1S/C21H17N3O2S/c1-27-16-8-5-14(6-9-16)20-21(24-11-3-2-4-19(24)23-20)22-15-7-10-17-18(12-15)26-13-25-17/h2-12,22H,13H2,1H3

InChI Key

XXWCCXFDBIMFAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08682751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.992

Distribution Coefficient, logD

4.988

Water Solubility, LogSw

-4.69

Polar Surface Area

34.794

Acid Dissociation Constant (pKa)

19.71

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C273-0545 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C273-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C273-0545?
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What is the minimum amount of C273-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C273-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C273-0545
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C273-0545 available by request